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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012503

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NINDINITROPHENYLENEA1RSM0.78
NINDINITROPHENYLENEA1GVY0.78
NINDINITROPHENYLENEA1GW10.78
SANSULFANILAMIDEA1AJ00.78
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.71
3NT3-NITROTOLUENEA,B2BMR0.75
3NT3-NITROTOLUENEA,B2HMO0.75
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.76
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.74
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.78
NBZNITROBENZENEA,B2BMQ0.81
NBZNITROBENZENEA,B3BGU0.81
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.85
NIT4-NITROANILINEC,D1RMH0.77
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.77
NIT4-NITROANILINEB1VBS0.77
NIT4-NITROANILINEC1V9T0.77
NIT4-NITROANILINEC,D1VBT0.77
NIT4-NITROANILINEB1LOP0.77
NIT4-NITROANILINEC,D1ZKF0.77
NIT4-NITROANILINEB1PIP0.77
TNL2,4,6-TRINITROTOLUENEA1GVR0.72
NBENITROSOBENZENEA1LH70.75
NBENITROSOBENZENEA2LH70.75
NBENITROSOBENZENEA2NSS0.75
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.79
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.81